SCHEMBL607692

SCHEMBL607692

C[CH]OC1CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL609096 1.00 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL211850 1.00
SCHEMBL436662 0.97
SCHEMBL126941 0.91
SCHEMBL128481 0.84
SCHEMBL3942982 0.78 ACHE (0.31) CA1CA2ACHECA12CA9
SCHEMBL1475814 0.78 ACHE (0.31) CA1CA2ACHECA12CA9
SCHEMBL4030169 0.78 ACHE (0.31) CA1CA2ACHECA12CA9
SCHEMBL15227532 0.78 ACHE (0.31) CA1CA2ACHECA12CA9
SCHEMBL1475813 0.78 ACHE (0.31) CA1CA2ACHECA12CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347597-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND FOR THE TREATMENT OF DERMAL DISORDERS Otsuka Pharmaceutical Co., Ltd. (JP) 2024-04-10 EP disclosed
WO-2024064178-A1 HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE VMAT2 INHIBITORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2024-03-28 WO disclosed
WO-2022255408-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND FOR THE TREATMENT OF DERMAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-12-08 WO disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 US disclosed
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-20200199155-A1 CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-06-25 US disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1999006394-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
EP-0880531-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-12-02 EP disclosed
EP-0879239-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-11-25 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed
WO-1997030059-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed
WO-1997030060-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 CA1 345/4885CA2 1871/4885ACHE 1550/4885
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 CA1 2173/4885CA2 2616/4885ACHE 2947/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB CA1 3286/4885CA2 3963/4885ACHE 1906/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 CA1 2697/4885CA2 1890/4885ACHE 3382/4885
US-20200199155-A1 CONDENSED [1,4] DIAZEPINE COMPOUNDS AS AUTOTAXIN (ATX) AND LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION INHIBITORS LPAR1, ENPP2, LPCAT1 CA1 398/4885CA2 946/4885ACHE 152/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 CA1 2807/4885CA2 1955/4885ACHE 3488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.